[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC=NN3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=CC=NN3

InChI

InChI=1S/C17H15N3O3S/c21-15(11-23-17(22)13-8-9-18-20-13)19-16(14-7-4-10-24-14)12-5-2-1-3-6-12/h1-10,16H,11H2,(H,18,20)(H,19,21)